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Benzene, 1-methyl-3-(1-methylethyl)-

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Normal alkane RI, non-polar column, temperature ramp

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase Polydimethyl siloxane: CP-Sil 5 CBPetrocol DHDB-5VF-5 MSVF-5 MS
Column length (m) 60.100.30.60.60.
Carrier gas HeliumHeliumHeliumHeliumHelium
Substrate      
Column diameter (mm) 0.250.250.250.320.32
Phase thickness (mum) 1.00.500.250.250.25
Tstart (C) 45.20.40.30.30.
Tend (C) 210.220.250.260.260.
Heat rate (K/min) 3.615.3.2.2.
Initial hold (min) 1.4515.5.  
Final hold (min) 2.7230.20.28.28.
I 1007.1010.1026.1020.1022.
ReferenceBramston-Cook, 2013Supelco, 2012Cao, Li, et al., 2011Leffingwell and Alford, 2011Leffingwell and Alford, 2011
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SE-54DB-5 MSCP Sil 5 CBHP-5MSHP-5MS
Column length (m) 30.60.25.30.30.
Carrier gas HeliumHeliumHeHeHe
Substrate      
Column diameter (mm) 0.250.25 0.250.25
Phase thickness (mum) 0.250.25 0.250.25
Tstart (C) 60.40.80.50.50.
Tend (C) 260.330.270.280.280.
Heat rate (K/min) 2.2.10.5.10.
Initial hold (min) 5.12. 4.2.
Final hold (min) 999.30. 10. 
I 1021.1035.1013.1031.1022.
ReferenceDayisoylu and Alma, 2009Patil, Jayaprakasha, et al., 2009Ayoub, Al-Azizi, et al., 2006Kim, Abd El-Aty, et al., 2006Romanenko and Tkachev, 2006
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SE-30SPB-5DB-5OV-1OV-101
Column length (m) 12.60.30. 50.
Carrier gas HeHe  Helium
Substrate      
Column diameter (mm) 0.220.250.32 0.20
Phase thickness (mum) 0.30.251. 0.50
Tstart (C) 70.50.40.50.30.
Tend (C) 220.240.200.160.100.
Heat rate (K/min) 3.5.3.2.1.
Initial hold (min)  3.5. 6.
Final hold (min)  10.   
I 1008.1029.1021.1008.1003.
ReferenceKambouche and El-Abed, 2003Kim and Lee, 2002Meynier, Novelli, et al., 1999Orav, Kailas, et al., 1999Orav, Kailas, et al., 1999, 2
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SPB-5SPB-5OV-101OV-101HP-5
Column length (m) 60.50.50.50.30.
Carrier gas HeHeN2N2He
Substrate      
Column diameter (mm) 0.320.320.250.250.25
Phase thickness (mum) 1.0.25  0.25
Tstart (C) 40.60.80.80.35.
Tend (C) 200.240.200.200.300.
Heat rate (K/min) 3.3.2.2.10.
Initial hold (min) 5.   2.
Final hold (min) 2.20.  10.
I 1026.1022.1012.1016.1027.1
ReferenceViallon C., Verdier-Metz I., et al., 1999Doneanu and Anitescu, 1998Tamura, Nakamoto, et al., 1995Tamura, Nakamoto, et al., 1995Wang and Fingas, 1995
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-1CP Sil 5 CBSE-54OV-101OV-101
Column length (m) 60.25.30.54.50.
Carrier gas HeHeHydrogenHeliumNitrogen
Substrate      
Column diameter (mm) 0.320.320.250.260.25
Phase thickness (mum) 1.20.450.25  
Tstart (C) 30.0.60.50.70.
Tend (C) 240.320.250.240.200.
Heat rate (K/min) 3.3.2.5.2.
Initial hold (min) 10.5.5.0. 
Final hold (min)  10.2.0. 
I 1025.1006.1021.1006.1012.
ReferenceCiccioli, Cecinato, et al., 1992Hartgers, Damste, et al., 1992Kollmannsberger, Nitz, et al., 1992Zenkevich and Ventura, 1991Sugisawa, Nakamura, et al., 1990
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type Capillary
Active phase OV-101
Column length (m) 50.
Carrier gas Nitrogen
Substrate  
Column diameter (mm) 0.25
Phase thickness (mum)  
Tstart (C) 80.
Tend (C) 200.
Heat rate (K/min) 2.
Initial hold (min)  
Final hold (min)  
I 1015.
ReferenceSugisawa, Nakamura, et al., 1990
Comment MSDC-RI

References

Go To: Top, Normal alkane RI, non-polar column, temperature ramp, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Bramston-Cook, 2013
Bramston-Cook, R., Kovats indices for C2-C13 hydrocarbons and selected oxygenated/halocarbons with 100 % dimethylpolysiloxane columns, 2013, retrieved from http://lotusinstruments.com/monographs/List .... [all data]

Supelco, 2012
Supelco, CatalogNo. 24160-U, Petrocol DH Columns. Catalog No. 24160-U, 2012, retrieved from http://www.sigmaaldrich.com/etc/medialib/docs/Supelco/Datasheet/1/w97949.Par.0001.File.tmp/w97949.pdf. [all data]

Cao, Li, et al., 2011
Cao, H.; Li, Z.; Chen, X., QSRR study of GC retention indices of volatile compounds emitted from Mosla chinensis Maxim. by multiply linear regression, Chin. J. Chem., 2011, 29, 10, 2187-2196, https://doi.org/10.1002/cjoc.201180379 . [all data]

Leffingwell and Alford, 2011
Leffingwell, J.; Alford, E.D., Volatile constituents of the giant pufball mushroom (Calvatia gigantea), Leffingwell Rep., 2011, 4, 1-17. [all data]

Dayisoylu and Alma, 2009
Dayisoylu, K.S.; Alma, M.H., Chemical analysis of essential oils from cone's rosin of Cilician fir (Abies cilicica subsp. cilicica), Afr. J. Biotechnol., 2009, 8, 15, 3502-3505. [all data]

Patil, Jayaprakasha, et al., 2009
Patil, J.R.; Jayaprakasha, G.K.; Murthy, K.N.C.; Tichy, S.E.; Chetti, M.B.; Patil, B.S., Apoptosis-mediated proliferation inhibition of human colon cancer cells by volatile principles of Citrus auratifolia, Food Chem., 2009, 114, 4, 1351-1358, https://doi.org/10.1016/j.foodchem.2008.11.033 . [all data]

Ayoub, Al-Azizi, et al., 2006
Ayoub, N.; Al-Azizi, M.; König, W.; Kubeczka, K.-H., Essential oils and a novel polyacetylene from Eryngium yuccifolium Michaux. (Apiaceae), Flavour Fragr. J., 2006, 21, 6, 864-868, https://doi.org/10.1002/ffj.1631 . [all data]

Kim, Abd El-Aty, et al., 2006
Kim, M.R.; Abd El-Aty, A.M.; Kim, I.S.; Shim, J.H., Determination of volatile flavor components in danggui cultivars by solvent free injection and hydrodistillation followed by gas chromatographic-mass spectrometric analysis, J. Chromatogr. A, 2006, 1116, 1-2, 259-264, https://doi.org/10.1016/j.chroma.2006.03.060 . [all data]

Romanenko and Tkachev, 2006
Romanenko, E.P.; Tkachev, A.V., Identification by GC-MS of cymene isomers and 3,7,7-trimethylcyclohepta-1,3,5-triene in essential oils, Chem. Nat. Compd. (Engl. Transl.), 2006, 42, 6, 699-701, https://doi.org/10.1007/s10600-006-0256-6 . [all data]

Kambouche and El-Abed, 2003
Kambouche, N.; El-Abed, D., Composition of the volatile oil from the aerial parts of Trachyspermum ammi (L.) Sprague from Oran (Algeria), J. Essent. Oil Res., 2003, 15, 1, 39-40, https://doi.org/10.1080/10412905.2003.9712259 . [all data]

Kim and Lee, 2002
Kim, N.-S.; Lee, D.-S., Comparison of different extraction methods for the analysis of fragrances from Lavandula species by gas chromatography-mass spectrometry, J. Chromatogr. A, 2002, 982, 1, 31-47, https://doi.org/10.1016/S0021-9673(02)01445-0 . [all data]

Meynier, Novelli, et al., 1999
Meynier, A.; Novelli, E.; Chissolinim, R.; Zanardi, E.; Gandemer, G., Volatile compounds of commercial Milano salami, Meat Sci., 1999, 51, 2, 175-183, https://doi.org/10.1016/S0309-1740(98)00122-3 . [all data]

Orav, Kailas, et al., 1999
Orav, A.; Kailas, T.; Muurisepp, M.; Kann, J., Composition of the oil from waste tires. 2. Fraction boiling at 160-180 0C, Proc. Estonian Acad. Sci. Chem., 1999, 48, 3, 136-140. [all data]

Orav, Kailas, et al., 1999, 2
Orav, A.; Kailas, T.; Muurisepp, M.; Kann, J., Composition of the oil from waste tires. 1. Fraction boiling at yp to 160 0C, Proc. Estonian Acad. Sci. Chem., 1999, 48, 1, 30-39. [all data]

Viallon C., Verdier-Metz I., et al., 1999
Viallon C.; Verdier-Metz I.; Denoyer C.; Pradel P.; Coulon J.B.; Berdague J.L., Desorbed terpenes and sesquiterpenes from forages and cheeses, J. Dairy Res., 1999, 66, 2, 319-326, https://doi.org/10.1017/S0022029999003520 . [all data]

Doneanu and Anitescu, 1998
Doneanu, C.; Anitescu, G., Supercritical carbon dioxide extraction of Angelica archangelica L. root oil, J. Supercrit. Fluids, 1998, 12, 1, 59-67, https://doi.org/10.1016/S0896-8446(97)00040-5 . [all data]

Tamura, Nakamoto, et al., 1995
Tamura, H.; Nakamoto, H.; Yang, R.-H.; Sugisawa, H., Characteristic aroma compounds in green algae (Ulva pertusa) volatiles, Nippon Shokuhin Kagaku Kogaku Kaishi, 1995, 42, 11, 887-891, https://doi.org/10.3136/nskkk.42.887 . [all data]

Wang and Fingas, 1995
Wang, Z.; Fingas, M., Differentiation of the source of spilled oil and monitoring of the oil weathering process using gas chromatography-mass spectrometry, J. Chromatogr. A, 1995, 712, 2, 321-343, https://doi.org/10.1016/0021-9673(95)00546-Y . [all data]

Ciccioli, Cecinato, et al., 1992
Ciccioli, P.; Cecinato, A.; Brancaleoni, E.; Frattoni, M.; Liberti, A., Use of carbon adsorption traps combined with high resolution gas chromatography - mass spectrometry for the analysis of polar and non-polar C4-C14 hydrocarbons involved in photochemical smog formation, J. Hi. Res. Chromatogr., 1992, 15, 2, 75-84, https://doi.org/10.1002/jhrc.1240150205 . [all data]

Hartgers, Damste, et al., 1992
Hartgers, W.A.; Damste, J.S.S.; de Leeuw, J.W., Identification of C2-C4 alkylated benzenes in flash pyrolysates of kerogens, coals and asphaltenes, J. Chromatogr., 1992, 606, 2, 211-220, https://doi.org/10.1016/0021-9673(92)87027-6 . [all data]

Kollmannsberger, Nitz, et al., 1992
Kollmannsberger, H.; Nitz, S.; Drawert, F., UBer die Aromastoffzusammensetzung von Hochdruckextrakten. I. Pfeffer (Piper nigrum, Var. muntok), Z. Lebensm. Unters Forsch., 1992, 194, 6, 545-551, https://doi.org/10.1007/BF01185481 . [all data]

Zenkevich and Ventura, 1991
Zenkevich, I.G.; Ventura, K., Gas Chromatographic Identification of Volatile Products of Thermal Degradation of Bitumen, Zh. Prikl. Khim. (Rus.), 1991, 9, 1974-1979. [all data]

Sugisawa, Nakamura, et al., 1990
Sugisawa, H.; Nakamura, K.; Tamura, H., The aroma profile of the volatile in marine green algae (Ulva pertusa), Food Reviews International, 1990, 6, 4, 573-589, https://doi.org/10.1080/87559129009540893 . [all data]


Notes

Go To: Top, Normal alkane RI, non-polar column, temperature ramp, References